methyl 4-(2-phenylethynylsulfonyl)benzoate

Systemtic Name: methyl 4-(2-phenylethynylsulfonyl)benzoate Openeye Name: methyl 4-(2-phenylethynylsulfonyl)benzoate CAS Name: 4-(2-phenylethynylsulfonyl)benzoic acid methyl ester IUPAC Name: methyl 4-(2-phenylethynylsulfonyl)benzoate Traditional Name: 4-(2-phenylethynylsulfonyl)benzoic acid methyl ester Formula: C16H12O4S MolecularWeight: 300.32908

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC=C(C=C1)S(=O)(=O)C#CC2=CC=CC=C2

Isomeric SMILES

COC(=O)C1=CC=C(C=C1)S(=O)(=O)C#CC2=CC=CC=C2

InChI

InChI=1S/C16H12O4S/c1-20-16(17)14-7-9-15(10-8-14)21(18,19)12-11-13-5-3-2-4-6-13/h2-10H,1H3